General Information of the Compound
| Compound ID |
CP0857854
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85808600
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36FN3O7S2
|
||||||||||||||||||
| Molecular Weight |
633.764
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)O3)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36FN3O7S2/c1-20-5-10-26(11-6-20)42(37,38)32-25-9-14-28-23(15-25)16-30(36)34(22(3)19-35)17-21(2)29(41-28)18-33(4)43(39,40)27-12-7-24(31)8-13-27/h5-15,21-22,29,32,35H,16-19H2,1-4H3/t21-,22+,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DMUNWDRJYSJGNH-KERYWQKISA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound